4,8-Dimethylquinolin-2(1H)-one 4,8-二甲基喹啉-2-醇

CAS 5349-78-0 MFCD00085676

化学结构图

5349-78-0
SMILES: Cc1cc(=O)[nH]c2c(C)cccc12

化学属性

Mol. FormulaC11H11NO
Mol. Weight173.21
Melting Point220-224 °C
Boiling Point343.3±42.0 °C at 760 mmHg
Flash Point201.7±12.8 °C

别名和识别编码

Chemical Name4,8-Dimethylquinolin-2(1H)-one
CAS Number5349-78-0
Alfabeta NameDIMETHYLQUINOLINOL 482---,
MDL NumberMFCD00085676
Synonym 4,8-Dimethylquinolin-2-ol {LY} 4,8-Dimethylquinolin-2-ol {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,8-Dimethylquinolin-2-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation4,8-二甲基喹啉-2-醇
LabNetwork Molecule IDLN00148111
PubChem Substance ID220708
InChIInChI=1S/C11H11NO/c1-7-4-3-5-9-8(2)6-10(13)12-11(7)9/h3-6H,1-2H3,(H,12,13)
Canonical SMILESCC1=C2C(=CC=C1)C(=CC(=N2)O)C
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; amide; lactame; 1fragment
  • {KO} HeteroArylOH

相关文献及参考

  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nu

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
2
Rotatable Bonds
0
LogP
3

系列性分类

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